N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide

C13H21N3O3S — CID 79195858

IUPACN-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1
InChIInChI=1S/C13H21N3O3S/c1-9-7-11(15-13(17)10(2)8-14-3)5-6-12(9)16-20(4,18)19/h5-7,10,14,16H,8H2,1-4H3,(H,15,17)
InChIKeyJQOIQNFCBNKFJW-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.16
Rot. Bonds6

About N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide

N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 79195858) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide
PubChem CID79195858
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1
InChIInChI=1S/C13H21N3O3S/c1-9-7-11(15-13(17)10(2)8-14-3)5-6-12(9)16-20(4,18)19/h5-7,10,14,16H,8H2,1-4H3,(H,15,17)
InChIKeyJQOIQNFCBNKFJW-UHFFFAOYSA-N
XLogP1.16
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide
CID 34169606
N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-(methylamino)propanamide
CID 119802651
2-methyl-3-(methylamino)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]propanamide
CID 119725778
N-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79195522
4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide
CID 81076245
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide
CID 43710308
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide
CID 62835077
2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide
CID 79813982
2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride
CID 119679343
N-[4-(methanesulfonamido)-3-methylphenyl]but-2-enamide
CID 112727081
2-methyl-3-(methylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide
CID 119725693
N-(3,4-dimethylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852690

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide (CID 79195858) is N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is JQOIQNFCBNKFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9-7-11(15-13(17)10(2)8-14-3)5-6-12(9)16-20(4,18)19/h5-7,10,14,16H,8H2,1-4H3,(H,15,17).
What are the key properties of N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide?
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 299.40 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79195858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).